Home > Compound List > Compound details
90225-09-5 molecular structure
click picture or here to close

5-chloroquinoline-8-sulfonic acid

ChemBase ID: 164586
Molecular Formular: C9H6ClNO3S
Molecular Mass: 243.66684
Monoisotopic Mass: 242.97569174
SMILES and InChIs

SMILES:
c1(ccc(c2c1cccn2)S(=O)(=O)O)Cl
Canonical SMILES:
Clc1ccc(c2c1cccn2)S(=O)(=O)O
InChI:
InChI=1S/C9H6ClNO3S/c10-7-3-4-8(15(12,13)14)9-6(7)2-1-5-11-9/h1-5H,(H,12,13,14)
InChIKey:
SWAFLXKUWRFGNY-UHFFFAOYSA-N

Cite this record

CBID:164586 http://www.chembase.cn/molecule-164586.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-chloroquinoline-8-sulfonic acid
IUPAC Traditional name
5-chloroquinoline-8-sulfonic acid
Synonyms
5-Chloro-8-quinolinesulfonic Acid
5-Chloroquinoline-8-sulfonic Acid
CAS Number
90225-09-5
PubChem SID
162258721
PubChem CID
29976225

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC C381245 external link Add to cart
PubChem 29976225 external link
Data Source Data ID Price
TRC
C381245 external link Add to cart Please log in.
Data Source Data ID
PubChem 29976225 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -3.9296386  H Acceptors
H Donor LogD (pH = 5.5) -0.46064332 
LogD (pH = 7.4) -0.46054813  Log P -0.59937876 
Molar Refractivity 55.4066 cm3 Polarizability 23.442703 Å3
Polar Surface Area 67.26 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Dimethyl Sulfoxide expand Show data source
Methanol expand Show data source
Apperance
Beige Solid expand Show data source
Melting Point
>300°C expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - C381245 external link
Used in the synthesis of 5-chloro-8-mercaptoquinoline and its salts.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle